REMARK  Name = BDB047499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.687  -0.098   1.195  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.181  -0.175   1.269  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.734  -1.446   0.892  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.385  -1.779   0.905  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.463  -0.808   1.293  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -0.915   0.463   1.688  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.881  -2.342   0.547  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.275   0.786   1.685  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.009  -1.327   0.317  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.273   1.263   0.762  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -7.543   0.729  -0.403  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -6.812   1.331   0.790  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -4.724   1.802  -0.555  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -4.353   1.129  -1.502  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -4.722   3.157  -0.606  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -5.061   3.594   0.197  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.896  -0.952   1.337  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.485  -2.163   0.852  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.587  -2.192  -0.674  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.584  -1.220  -1.196  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        2.419   0.103  -1.552  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1        1.288   1.046  -1.559  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        3.630   0.578  -1.971  0.00  0.00    -0.444 OA
ATOM     24  C   LIG    1        4.473  -0.492  -1.839  0.00  0.00    +0.200 A 
ATOM     25  N   LIG    1        3.895  -1.592  -1.396  0.00  0.00    -0.218 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.891  -0.277  -2.234  0.00  0.00    +0.131 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.734   0.302  -1.121  0.00  0.00    -0.038 A 
ATOM     28  C   LIG    1        6.966   1.683  -1.045  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.736   2.214  -0.009  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.276   1.374   0.962  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.042   0.001   0.903  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.273  -0.533  -0.132  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 10